2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide

C24H33N2O4+ — CID 7930145

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc12
InChIInChI=1S/C24H32N2O4/c1-18-14-23(28)30-21-15-19(8-9-20(18)21)29-16-22(27)25-17-24(10-4-2-5-11-24)26-12-6-3-7-13-26/h8-9,14-15H,2-7,10-13,16-17H2,1H3,(H,25,27)/p+1
InChIKeyHLLNKADDUGSUKF-UHFFFAOYSA-O
MW413.54 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide (PubChem CID 7930145) has the molecular formula C24H33N2O4+ and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
PubChem CID7930145
Molecular FormulaC24H33N2O4+
Molecular Weight413.54 g/mol
Exact Mass413.24
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc12
InChIInChI=1S/C24H32N2O4/c1-18-14-23(28)30-21-15-19(8-9-20(18)21)29-16-22(27)25-17-24(10-4-2-5-11-24)26-12-6-3-7-13-26/h8-9,14-15H,2-7,10-13,16-17H2,1H3,(H,25,27)/p+1
InChIKeyHLLNKADDUGSUKF-UHFFFAOYSA-O
XLogP2.37
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907483
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9078860
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4673261
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide (CID 7930145) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is HLLNKADDUGSUKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N2O4/c1-18-14-23(28)30-21-15-19(8-9-20(18)21)29-16-22(27)25-17-24(10-4-2-5-11-24)26-12-6-3-7-13-26/h8-9,14-15H,2-7,10-13,16-17H2,1H3,(H,25,27)/p+1.
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 413.54 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 7930145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).